Brightway Flows 1.0
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Identity

Type
Neutral molecule
CAS
872-36-6
EC
212-825-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3-dioxol-2-one

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VAYTZRYEBVHVLE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
IUPAC name chemrof:IUPAC_name 1,3-dioxol-2-one
Molecular formula chemrof:molecular_formula C3H2O3
Molecular mass chemrof:molecular_mass 86.046
Monoisotopic mass chemrof:monoisotopic_mass 86.000394
SMILES string chemrof:smiles_string O=c1occo1

Known URLs

11

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25747-73-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=872-36-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.659 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1074888 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20980 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=47201 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1X0ZZF9WFV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.532K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13385 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q2802973 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Vinylene_carbonate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
605d6397-e16c-4def-aa14-6521e5c61dce Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ed405ad9-73c2-40c2-9202-71b65e2b8b8f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4fd48f3b-3566-4817-873d-f190e0a811a9 Environmental → Air → Indoor EF 3.1 kg 4
c71d0b08-b900-4067-919c-8d0e9f7f7d54 Environmental → Air → Long-term EF 3.1 kg 0
527cbd45-6e73-4972-8cbf-3a5a7ba73496 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
52c215c3-4b95-43e3-b3fa-af3e053588fc Environmental → Air → Unknown EF 3.1 kg 4
ef9c3dec-83e4-4da0-ba45-75a1ea37255b Environmental → Ground → Agricultural EF 3.1 kg 4
fdb47217-1072-4a52-80fe-009887fe01ce Environmental → Ground → Non-agricultural EF 3.1 kg 4
b457ce76-ea80-4f02-a84f-3a0fec89caa1 Environmental → Ground → Unknown EF 3.1 kg 4
b8cd16a5-3514-4684-991d-b18a2a7c27a4 Environmental → Water → Long-term EF 3.1 kg 0
a453a42c-fcf1-48a5-83d7-d98ed0d49a52 Environmental → Water → Ocean EF 3.1 kg 4
02a6e047-a9a9-4fab-ad5e-10467b349b62 Environmental → Water → Surface water EF 3.1 kg 4
861f91b0-c0c5-4eea-bf35-4b6f14214331 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-43fe06ae7f81f5b5",
  "prefLabel": [
    {
      "@value": "1,3-dioxol-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2H-1,3-Dioxol-2-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:872-36-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=872-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonic acid, cyclic vinylene ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:872-36-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=872-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vinylene carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:872-36-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=872-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vinylidene carbonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:872-36-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=872-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H2O3"
      ],
      "attested_by": {
        "C3H2O3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1occo1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "VAYTZRYEBVHVLE-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      "rdfs:label": "InChIKey",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1occo1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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        },
        {
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          "prov:hadPrimarySource": [
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1occo1"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-dioxol-2-one"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        86.046
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=COC(=O)O1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1occo1"
          ]
        }
      ],
      "attested_by": {
        "86.046": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        86.000394
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=COC(=O)O1"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=c1occo1"
          ]
        }
      ],
      "attested_by": {
        "86.000394": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.532K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[872-36-6]"
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    },
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    },
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        "prov:wasDerivedFrom": "pubchem.identifiers[872-36-6]"
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    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20980",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.identifiers[872-36-6]"
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    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[872-36-6]"
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    },
    {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    {
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  ],
  "created_from": {
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    "seed_uuid": "02a6e047-a9a9-4fab-ad5e-10467b349b62",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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